4-bromo-N-(2-cyanocyclopentyl)-3-methylbenzamide

C14H15BrN2O — CID 113339251

IUPAC4-bromo-N-(2-cyanocyclopentyl)-3-methylbenzamide
SMILESCc1cc(C(=O)NC2CCCC2C#N)ccc1Br
InChIInChI=1S/C14H15BrN2O/c1-9-7-10(5-6-12(9)15)14(18)17-13-4-2-3-11(13)8-16/h5-7,11,13H,2-4H2,1H3,(H,17,18)
InChIKeyVFIBDEBMASBGOJ-UHFFFAOYSA-N
MW307.19 g/mol
LogP3.18
Rot. Bonds2

About 4-bromo-N-(2-cyanocyclopentyl)-3-methylbenzamide

4-bromo-N-(2-cyanocyclopentyl)-3-methylbenzamide (PubChem CID 113339251) has the molecular formula C14H15BrN2O and a molecular weight of 307.19 g/mol. Its IUPAC name is 4-bromo-N-(2-cyanocyclopentyl)-3-methylbenzamide.

Molecular Properties

Compound Name4-bromo-N-(2-cyanocyclopentyl)-3-methylbenzamide
PubChem CID113339251
Molecular FormulaC14H15BrN2O
Molecular Weight307.19 g/mol
Exact Mass306.04
IUPAC Name4-bromo-N-(2-cyanocyclopentyl)-3-methylbenzamide
SMILESCc1cc(C(=O)NC2CCCC2C#N)ccc1Br
InChIInChI=1S/C14H15BrN2O/c1-9-7-10(5-6-12(9)15)14(18)17-13-4-2-3-11(13)8-16/h5-7,11,13H,2-4H2,1H3,(H,17,18)
InChIKeyVFIBDEBMASBGOJ-UHFFFAOYSA-N
XLogP3.18
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.19
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-cyanocyclopentyl)-4-hydroxy-3-methylbenzamide
CID 113358590
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CID 62962345
3,5-dibromo-N-(2-cyanocyclopentyl)benzamide
CID 103908948
4-bromo-N-cyclopentyl-3-methylbenzamide
CID 46738751
4-chloro-N-(2-cyanocyclopentyl)-3-fluorobenzamide
CID 103876619
5-bromo-N-(2-cyanocyclopentyl)thiophene-3-carboxamide
CID 62962185
3-chloro-N-(2-cyanocyclopentyl)-5-methylbenzamide
CID 81002663
3,5-dichloro-N-(2-cyanocyclopentyl)benzamide
CID 62961800
4-bromo-3-methyl-N-(2-methyloxolan-3-yl)benzamide
CID 115868342
N-[(1R,2R)-2-cyanocyclohexyl]benzamide
CID 10656966
N-(2-cyanocyclopentyl)-3-methylthiophene-2-carboxamide
CID 62963070
(4-bromo-3-methylphenyl)-cyclobutylmethanone
CID 115811405

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-cyanocyclopentyl)-3-methylbenzamide?
The IUPAC name of 4-bromo-N-(2-cyanocyclopentyl)-3-methylbenzamide (CID 113339251) is 4-bromo-N-(2-cyanocyclopentyl)-3-methylbenzamide.
What is the SMILES notation for 4-bromo-N-(2-cyanocyclopentyl)-3-methylbenzamide?
The canonical SMILES for 4-bromo-N-(2-cyanocyclopentyl)-3-methylbenzamide is Cc1cc(C(=O)NC2CCCC2C#N)ccc1Br.
What is the InChIKey of 4-bromo-N-(2-cyanocyclopentyl)-3-methylbenzamide?
The InChIKey is VFIBDEBMASBGOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN2O/c1-9-7-10(5-6-12(9)15)14(18)17-13-4-2-3-11(13)8-16/h5-7,11,13H,2-4H2,1H3,(H,17,18).
What are the key properties of 4-bromo-N-(2-cyanocyclopentyl)-3-methylbenzamide?
4-bromo-N-(2-cyanocyclopentyl)-3-methylbenzamide has a molecular weight of 307.19 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2-cyanocyclopentyl)-3-methylbenzamide is sourced from PubChem (CID 113339251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).